CID 484394

250720-23-1

Structural Information

Molecular Formula
C19H28O
SMILES
CCC1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O
InChI
InChI=1S/C19H28O/c1-5-13-14-7-10-17-18(2,3)11-6-12-19(17,4)15(14)8-9-16(13)20/h8-9,17,20H,5-7,10-12H2,1-4H3/t17-,19+/m0/s1
InChIKey
VZQGJBYAFJHRGT-PKOBYXMFSA-N
Compound name
(4bS,8aS)-1-ethyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.21402 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22130 166.8
[M+Na]+ 295.20324 173.9
[M-H]- 271.20674 170.3
[M+NH4]+ 290.24784 189.1
[M+K]+ 311.17718 168.9
[M+H-H2O]+ 255.21128 160.6
[M+HCOO]- 317.21222 180.3
[M+CH3COO]- 331.22787 201.2
[M+Na-2H]- 293.18869 170.6
[M]+ 272.21347 163.6
[M]- 272.21457 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.